Information card for entry 4020931

Structure parameters

• Common name: 2(5)toluene
• Formula: C21.5 H24 S4
• Calculated formula: C21.5 H24 S4
• Title of publication: Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization
• Authors of publication: Daniel B. Werz; Rolf Gleiter; Frank Rominger
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2945 - 2952
• a: 9.0535 ± 0.0002 Å
• b: 17.2585 ± 0.0003 Å
• c: 13.7264 ± 0.0003 Å
• α: 90°
• β: 94.414 ± 0.001°
• γ: 90°
• Cell volume: 2138.39 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No